1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea

C10H17N5O — CID 31043239

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea
SMILESCCC1(CNC(=O)Nc2ncn[nH]2)CCC1
InChIInChI=1S/C10H17N5O/c1-2-10(4-3-5-10)6-11-9(16)14-8-12-7-13-15-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyYRCBJOAFMJVYQI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.51
Rot. Bonds4

About 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea

1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea (PubChem CID 31043239) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea
PubChem CID31043239
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea
SMILESCCC1(CNC(=O)Nc2ncn[nH]2)CCC1
InChIInChI=1S/C10H17N5O/c1-2-10(4-3-5-10)6-11-9(16)14-8-12-7-13-15-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyYRCBJOAFMJVYQI-UHFFFAOYSA-N
XLogP1.51
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea (CID 31043239) is 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea is CCC1(CNC(=O)Nc2ncn[nH]2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
The InChIKey is YRCBJOAFMJVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-10(4-3-5-10)6-11-9(16)14-8-12-7-13-15-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15,16).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea has a molecular weight of 223.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-(1H-1,2,4-triazol-5-yl)urea is sourced from PubChem (CID 31043239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).